⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11449187 | 0.88 | SHBG (0.39) | — | |
| SCHEMBL8652416 | 0.88 | SHBG (0.39) | — | |
| SCHEMBL8652415 | 0.88 | SHBG (0.39) | — | |
| SCHEMBL26316529 | 0.74 | — | — | |
| SCHEMBL10536674 | 0.74 | — | — | |
| SCHEMBL140295 | 0.69 | — | — | |
| SCHEMBL9594689 | 0.69 | — | — | |
| SCHEMBL7015220 | 0.69 | — | — | |
| SCHEMBL19050679 | 0.67 | SHBG (0.37) | — | |
| SCHEMBL8675545 | 0.65 | SHBG (0.42) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5203907-A | Herbicides | BASF AKTIENGESELLSCHAFT (DE) | 1993-04-20 | — | — | US | disclosed |